Basic information
- Standard SMILES
CC1(C)c2ccc(OC(=O)c3ccccc3)cc2Oc2cc(OC(=O)c3ccccc3)ccc21- InChIKey
ZXABFTDZDAWOFZ-UHFFFAOYSA-N- Molecular formula
- C29H22O5
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- (6-Benzoyloxy-9,9-dimethylxanthen-3-yl) benzoate
- IUPAC
- (6-benzoyloxy-9,9-dimethylxanthen-3-yl) benzoate
- English name
- 6-(benzoyloxy)-9,9-dimethyl-9H-xanthen-3-yl benzoate
- Molecular formula
- C29H22O5
- Molecular weight
- 450.48198
Names & synonyms
9H-xanthene-3,6-diol, 9,9-dimethyl-, dibenzoate(6-benzoyloxy-9,9-dimethylxanthen-3-yl) benzoateZXABFTDZDAWOFZ-UHFFFAOYSA-NAKOS0010167279,9-dimethyl-9H-xanthene-3,6-diyl dibenzoateAF-399/13374032Z567907956-(benzoyloxy)-9,9-dimethyl-9H-xanthen-3-yl benzoate
Database identifiers
- CAS
103166-30-9
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 662
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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